Geometry & MOs

Info

ID:	75713
PubChem CID:	48423886
Reduced:	ClN2O3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	350.184172
ΔH_f, kcal/mol:	-99.52
Dipole, Da:	2.32
IP(EA), eV:	-9.23(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]hexanoate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2Cl)OCC3CC3

DOS

IR

Vibrations